Geometry & MOs

Info

ID:	197684
PubChem CID:	78987156
Reduced:	ON3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	260.036797
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	3.42
IP(EA), eV:	-8.79(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1,3-benzothiazol-2-yl)-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=O)NC1CCN2C1CCCC2

DOS

IR

Vibrations